9-(3-bromo-5-methoxyphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione

C15H17BrN2O3 — CID 82860798

IUPAC9-(3-bromo-5-methoxyphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCOc1cc(Br)cc(N2CC(=O)NC3(CCCC3)C2=O)c1
InChIInChI=1S/C15H17BrN2O3/c1-21-12-7-10(16)6-11(8-12)18-9-13(19)17-15(14(18)20)4-2-3-5-15/h6-8H,2-5,9H2,1H3,(H,17,19)
InChIKeyXWRJBEQOXUUJDC-UHFFFAOYSA-N
MW353.22 g/mol
LogP2.23
Rot. Bonds2

About 9-(3-bromo-5-methoxyphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione

9-(3-bromo-5-methoxyphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 82860798) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol. Its IUPAC name is 9-(3-bromo-5-methoxyphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name9-(3-bromo-5-methoxyphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID82860798
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Name9-(3-bromo-5-methoxyphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCOc1cc(Br)cc(N2CC(=O)NC3(CCCC3)C2=O)c1
InChIInChI=1S/C15H17BrN2O3/c1-21-12-7-10(16)6-11(8-12)18-9-13(19)17-15(14(18)20)4-2-3-5-15/h6-8H,2-5,9H2,1H3,(H,17,19)
InChIKeyXWRJBEQOXUUJDC-UHFFFAOYSA-N
XLogP2.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(3-bromo-5-methoxyphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 9-(3-bromo-5-methoxyphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 82860798) is 9-(3-bromo-5-methoxyphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 9-(3-bromo-5-methoxyphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 9-(3-bromo-5-methoxyphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione is COc1cc(Br)cc(N2CC(=O)NC3(CCCC3)C2=O)c1.
What is the InChIKey of 9-(3-bromo-5-methoxyphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is XWRJBEQOXUUJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c1-21-12-7-10(16)6-11(8-12)18-9-13(19)17-15(14(18)20)4-2-3-5-15/h6-8H,2-5,9H2,1H3,(H,17,19).
What are the key properties of 9-(3-bromo-5-methoxyphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
9-(3-bromo-5-methoxyphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 353.22 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-bromo-5-methoxyphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 82860798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).